General Information of the Compound
| Compound ID |
CP0549707
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| Compound Name |
2-[5-(cyclopropylmethyl)-3-(3-ethynyl-4-fluorophenyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
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| Formula |
C26H20F2N4O4S2
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| Molecular Weight |
554.6
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| Canonical SMILES |
NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#C)-c2nc(cs2)C(O)=O)cc1F
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| InChI |
InChI=1S/C26H20F2N4O4S2/c1-2-16-12-17(6-7-19(16)27)24-18(9-15-5-8-23(20(28)10-15)38(29,35)36)22(11-14-3-4-14)32(31-24)26-30-21(13-37-26)25(33)34/h1,5-8,10,12-14H,3-4,9,11H2,(H,33,34)(H2,29,35,36)
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| InChIKey |
VMXYEGKTDZLBEU-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02629, L-lactate dehydrogenase A chain